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S (+) -MDO-NPA HCl

CAT: 0931-T28640-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28640-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113678-73-2
Target
Others
Related Pathways
Others
Bioactivity
S (+) -MDO-NPA HCl is an inhibitor of dopamine with oral activity, selective for rat limbic system.
Smiles
C(CC)N1[C@@]2(C=3C(C=4C5=C(C=CC4C2)OCO5)=CC=CC3CC1)[H].Cl
Molecular Formula
C20H22ClNO2
Molecular Weight
343.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(-)-MDO-NPA HCl
CAS Number113678-73-2
PubChem CID13533177
IUPAC Name(12S)-13-propyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaene;hydrochloride
Molecular FormulaC20H22ClNO2
Molecular Weight343.8
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
CCCN1CCC2=C3[C@@H]1CC4=C(C3=CC=C2)C5=C(C=C4)OCO5.Cl
InChI
InChI=1S/C20H21NO2.ClH/c1-2-9-21-10-8-13-4-3-5-15-18(13)16(21)11-14-6-7-17-20(19(14)15)23-12-22-17;/h3-7,16H,2,8-12H2,1H3;1H/t16-;/m0./s1
InChIKey
QRTFNNCNSYALRJ-NTISSMGPSA-N
Chemical Structure
2D Structure
2D structure of (-)-MDO-NPA HCl
CAS: 113678-73-2
CID: 13533177
Formula: C20H22ClNO2
MW: 343.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight343.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass343.1339066
Monoisotopic Mass343.1339066
Topological Polar Surface Area21.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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